2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C104H66Br2N20O3 — CID 159718153

About 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 159718153) has the molecular formula C104H66Br2N20O3 and a molecular weight of 1803.62 g/mol. Its IUPAC name is 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• PubChem CID: 159718153
• Molecular Formula: C104H66Br2N20O3
• Molecular Weight: 1803.62 g/mol
• Exact Mass: 1800.40
• IUPAC Name: 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• SMILES: Brc1cc(Br)c2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1.On1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.c1ccc(COc2ccc3[nH]cc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c3c2)cc1.c1ccc(COc2cccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[nH]c23)cc1
• InChI: InChI=1S/2C28H19N5O.C27H17N5O.C21H11Br2N5/c1-2-7-17(8-3-1)16-34-22-12-4-9-18-21(15-31-23(18)22)28-32-26-19-10-5-13-29-24(19)25-20(27(26)33-28)11-6-14-30-25;1-2-6-17(7-3-1)16-34-18-10-11-23-21(14-18)22(15-31-23)28-32-26-19-8-4-12-29-24(19)25-20(27(26)33-28)9-5-13-30-25;33-32-20-13-5-4-10-17(20)21(26(32)16-8-2-1-3-9-16)27-30-24-18-11-6-14-28-22(18)23-19(25(24)31-27)12-7-15-29-23;22-10-7-13-14(9-26-16(13)15(23)8-10)21-27-19-11-3-1-5-24-17(11)18-12(20(19)28-21)4-2-6-25-18/h2*1-15,31H,16H2,(H,32,33);1-15,33H,(H,30,31);1-9,26H,(H,27,28)
• InChIKey: MZROUNFJSNPHCY-UHFFFAOYSA-N
• XLogP: 25.29
• TPSA: 308.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.62
LogP ≤ 5	25.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The IUPAC name of 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 159718153) is 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

What is the SMILES notation for 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The canonical SMILES for 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is Brc1cc(Br)c2[nH]cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1.On1c(-c2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21.c1ccc(COc2ccc3[nH]cc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c3c2)cc1.c1ccc(COc2cccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c[nH]c23)cc1.

What is the InChIKey of 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The InChIKey is MZROUNFJSNPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19N5O.C27H17N5O.C21H11Br2N5/c1-2-7-17(8-3-1)16-34-22-12-4-9-18-21(15-31-23(18)22)28-32-26-19-10-5-13-29-24(19)25-20(27(26)33-28)11-6-14-30-25;1-2-6-17(7-3-1)16-34-18-10-11-23-21(14-18)22(15-31-23)28-32-26-19-8-4-12-29-24(19)25-20(27(26)33-28)9-5-13-30-25;33-32-20-13-5-4-10-17(20)21(26(32)16-8-2-1-3-9-16)27-30-24-18-11-6-14-28-22(18)23-19(25(24)31-27)12-7-15-29-23;22-10-7-13-14(9-26-16(13)15(23)8-10)21-27-19-11-3-1-5-24-17(11)18-12(20(19)28-21)4-2-6-25-18/h2*1-15,31H,16H2,(H,32,33);1-15,33H,(H,30,31);1-9,26H,(H,27,28).

What are the key properties of 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 1803.62 g/mol, XLogP of 25.29, 11 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dibromo-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(1-hydroxy-2-phenylindol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 159718153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).